http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/issue/feed 2023-09-09T02:51:56+00:00 贺泳霖 heman@ruc.edu.cn Open Journal Systems <p><em>Molecular Design</em> (MOLD) <span class="text-dst">mainly serves the molecular design competition (MOLD), which comes from the practical teaching of the course<em> Chemoinformatics</em>. Its predecessor is Journal of Academic Chemists' Start (For Academic Knowledge Exercises), or JACS (FAKE), which was established in 2021.</span></p> http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/235 2023-09-09T02:07:11+00:00 Yonglin He heman@ruc.edu.cn

<p>本期是《分子设计》的第二期</p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/208 2023-07-06T02:43:13+00:00 an zhang 2021200974@ruc.edu.cn Yixuan 2021200969@ruc.edu.cn

<p class="90abstract"><span lang="EN-US">Using the methods of cheminformatics, we have designed an interesting frog-like molecule called "frog ether" and studied its synthesis steps. The molecule has a 1, 3-dioxopentane structure and may have antifungal effects similar to some drug molecules. In addition, ring-opening polymerization based on 1, 3-dioxopentane can form solid electrolytes, which also have potential in the battery energy neighborhood.</span></p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/201 2023-07-06T03:18:33+00:00 一 冯 2021200935@ruc.edu.cn 东旭 赵 2021200951@ruc.edu.cn 英东 李 2021200955@ruc.edu.cn

<p>Molecular design is a very interesting topic in organic chemistry. Through molecular design methods, we have successfully brought the charmingly naive "ant acid" into reality. The term "ant acid" here does not refer to traditional formic acid molecules, but rather an organic molecule that mimics the form of ants. It has three organic rings as its body, four methyl and two carbonyl groups as its six legs, and two carboxyl groups as its tentacles. The entire molecule is lifelike, reflecting both symmetry and conformational beauty. The main body of "ant acid" is an anthraquinone molecule, which has potential value and application in the pharmaceutical industry.</p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/210 2023-07-06T03:30:13+00:00 杨 赵 yzbdtawe@outlook.com 佳奕 范 3050039431@qq.com 依嘉 浮 201200956@ruc.edu.cn

<p>有机物“精灵巯”分子由于巯基和硫醚官能团及其桥环化合物的主体结构，理论上具有硫醇和硫醚以及桥环化合物的多重性质，参照硫醇、硫醚和桥环化合物的应用，该分子有着广阔应用前景。本文主要讨论了“精灵巯”的分子设计与合成方法，主要步骤包括羰基与磷叶立德发生的Wittig反应、羟基的溴代反应、醛基与格氏试剂反应等。</p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/209 2023-07-06T03:58:41+00:00 硕 程 2021200940@ruc.edu.cn 淑炫 张 zhangshuxuan123@ruc.edu.cn 禹 王 2021200949@ruc.edu.cn

<p>聚合物在现代社会里中起着重要作用，如聚己内酯是在生物降解方面已有广泛应用。本文主要讨论小黑酯的分子设计与合成路线，其中的关键步骤有一系列取代反应、Baeyer-Villiger反应制备酯基并实现扩环，及分子内酮基缩合制得五元环。</p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/211 2023-07-06T03:26:55+00:00 周鸿涛 周 2463485175@qq.com 宝灵 马 mblcca@163.com

<p>Through Sonogashira Coupling reaction, a simple synthesis design of an interesting snowflake like molecule was</p> <p>realized. The molecular synthesis route was simple and efficient, which was a successful practice of organic synthesis by</p> <p>Sonogashira Coupling reaction.</p>

2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design http://chemgroups.ruc.edu.cn/VJFE/index.php/MOLD/article/view/236 2023-09-09T02:09:10+00:00 Yonglin He heman@ruc.edu.cn 2023-09-09T00:00:00+00:00 Copyright (c) 2023 Molecular Design